REMARK  Name = BDB003099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.662   1.355  -0.826  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.659   0.607  -0.208  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1        1.917  -0.604  -0.816  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        2.019  -0.515  -1.817  0.00  0.00    +0.151 HD
ATOM      5  O   LIG    1        2.233   0.945   0.820  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.248   2.646  -0.230  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        1.381   3.688  -0.237  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.904   5.031   0.313  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1        0.285   4.883   1.700  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -0.844   3.856   1.708  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -0.380   2.504   1.167  0.00  0.00    +0.022 C 
ENDBRANCH   1   6
BRANCH   3  12
ATOM     12  C   LIG    1        2.877  -1.537  -0.219  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1        2.575  -2.958  -0.726  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        3.808  -3.849  -0.681  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        4.926  -3.310  -1.576  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        4.911  -1.787  -1.721  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        4.332  -1.105  -0.486  0.00  0.00    +0.022 C 
ENDBRANCH   3  12
BRANCH   1  18
ATOM     18  C   LIG    1       -0.242   0.804  -1.847  0.00  0.00    +0.183 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -7.150  -1.173   0.584  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1       -5.705  -1.002   0.245  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -4.627  -1.778   0.646  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -4.704  -2.983   1.530  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -3.400  -1.266   0.094  0.00  0.00    +0.075 A 
ATOM     24  C   LIG    1       -3.587  -0.144  -0.686  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -2.629   0.569  -1.337  0.00  0.00    -0.225 NA
ATOM     26  C   LIG    1       -1.424   0.111  -1.184  0.00  0.00    +0.129 A 
ATOM     27  N   LIG    1       -1.112  -1.011  -0.444  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -0.144  -1.279  -0.314  0.00  0.00    +0.170 HD
ATOM     29  C   LIG    1       -2.042  -1.751   0.246  0.00  0.00    +0.260 A 
ATOM     30  O   LIG    1       -1.724  -2.727   0.917  0.00  0.00    -0.267 OA
ATOM     31  S   LIG    1       -5.227   0.299  -0.764  0.00  0.00    -0.073 S 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 4